SCHEMBL14199367

SCHEMBL14199367

O=Cc1c(OCCCCl)[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 6/20 0.43
KIF11 P52732 2/20 0.41
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
GSK3B P49841 2/20 0.36
HKDC1 Q2TB90 1/20 0.36
MCL1 Q07820 1/20 0.35
KDM4E B2RXH2 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1727453 0.79 NPC1 (0.51) AHRKIF11KMT2AMAPTMEN1
SCHEMBL7836059 0.77 AHR (0.54) AHRKIF11KMT2AMAPTMEN1
SCHEMBL4625769 0.76 KDM4E (0.51) KMT2AMAPTTDP1NPSR1MITF
SCHEMBL1557504 0.76 KDM4E (0.55) AHRKIF11KMT2AMAPTMEN1
SCHEMBL3151973 0.71 NR4A2 (0.59) KIF11KMT2AMAPTMEN1NPSR1
SCHEMBL14519076 0.70 GSK3B (0.53) AHRKIF11KMT2AMAPTMEN1
SCHEMBL4624897 0.70 NR4A2 (0.44) KIF11KMT2AMAPTNPSR1MITF
SCHEMBL1093112 0.70 CDK1 (0.51) AHRKIF11KMT2AMAPTMEN1
SCHEMBL29953709 0.70 CDK1 (0.51) AHRKIF11KMT2AMAPTMEN1
SCHEMBL5776615 0.69 KDM4E (0.45) KMT2AMAPTMEN1GAAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097135-B1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 2008-05-07 EP disclosed